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BDBM201859 US9233979, 290

SMILES: COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H]([C@H]3CCCO3)c3ccccc3)ncc12

InChI Key: InChIKey=ZXOLFDFAADUPTK-XELGSYHNNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 201859   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201859
PNG
(US9233979, 290)
Show SMILES COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H]([C@H]3CCCO3)c3ccccc3)ncc12
Show InChI InChI=1/C20H22N6O4/c1-29-20(28)24-18-13-11-21-16(10-14(13)25-26-18)22-19(27)23-17(15-8-5-9-30-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,15,17H,5,8-9H2,1H3,(H2,21,22,23,27)(H2,24,25,26,28)/t15-,17+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair